Products 38861-93-7

CAS 38861-93-7 appears in our catalog under these names: 18:0( ALPHA-OH) COENZYME A, (2S)-2-Hydroxyoctadecanoyl-CoA, 2-Hydroxystearoyl-CoA. Offered by: Sigma-Aldrich, MedChemExpress. Available pack sizes: 5MG, Get quote, 1 mg.

18:0( ALPHA-OH) COENZYME A
Sigma-Aldrich
  • size: 5MG
  • Variants: 1
from 1970.00
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(2S)-2-Hydroxyoctadecanoyl-CoA
MedChemExpress
  • size: Get quote
  • Variants: 1
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2-Hydroxystearoyl-CoA
MedChemExpress
  • size: 1 mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2S)-2-hydroxyoctadecanethioate (CAS 38861-93-7) is a chemical compound with the molecular formula C39H70N7O18P3S and a molecular weight of 1050.0 g/mol. IUPAC name: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2S)-2-hydroxyoctadecanethioate. InChIKey: OJQMIXCIJFLULT-LPSUQUFLSA-N.

Identity
Molecular formulaC39H70N7O18P3S
Molecular weight1050.0 g/mol
IUPAC nameS-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (2S)-2-hydroxyoctadecanethioate
InChIKeyOJQMIXCIJFLULT-LPSUQUFLSA-N
SMILESCCCCCCCCCCCCCCCC[C@@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)O

Computed by PubChem (NCBI)

Synonyms: alpha-Hydroxy stearoyl-coa, alpha-Hydroxy stearyl-coenzyme A, 2-Hydroxyoctadecanoyl-coenzyme A, Coenzyme A, 2-hydroxyoctadecanoyl-, Coenzyme A, S-(2-hydroxyoctadecanoate), alpha-Hydroxy stearoyl-CoA; (Acyl-CoA); [M+H]+;
Isomers (same molecular formula)
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3S)-3-hydroxyoctadecanethioate C39H70N7O18P3S
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 12-hydroxyoctadecanethioate C39H70N7O18P3S
S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-hydroxyoctadecanethioate C39H70N7O18P3S